Ace inhibitor bg-2

Structural Information

Molecular Formula

C₅₇H₈₉N₁₃O₁₃S

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCCCN)NC(=O)CN

InChI

InChI=1S/C57H89N13O13S/c1-31(2)46(68-51(76)41(22-25-84-7)63-49(74)39(16-10-12-23-58)62-45(73)28-60)54(79)64-40(17-11-13-24-59)50(75)69-48(33(5)6)56(81)70-47(32(3)4)55(80)67-44(30-71)53(78)65-42(27-35-29-61-38-15-9-8-14-37(35)38)52(77)66-43(57(82)83)26-34-18-20-36(72)21-19-34/h8-9,14-15,18-21,29,31-33,39-44,46-48,61,71-72H,10-13,16-17,22-28,30,58-60H2,1-7H3,(H,62,73)(H,63,74)(H,64,79)(H,65,78)(H,66,77)(H,67,80)(H,68,76)(H,69,75)(H,70,81)(H,82,83)/t39-,40+,41+,42+,43+,44+,46+,47+,48+/m1/s1

InChIKey

MGYNMUZMHGMZTN-FCHOXZRBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 115370